2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine

C19H18ClN3 — CID 23188709

IUPAC2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2cccc(Cc3ccccc3)n2)n1
InChIInChI=1S/C19H18ClN3/c1-2-7-15-13-18(20)23-19(22-15)17-11-6-10-16(21-17)12-14-8-4-3-5-9-14/h3-6,8-11,13H,2,7,12H2,1H3
InChIKeyRLDMOXMDQSFCGO-UHFFFAOYSA-N
MW323.83 g/mol
LogP4.74
Rot. Bonds5

About 2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine

2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine (PubChem CID 23188709) has the molecular formula C19H18ClN3 and a molecular weight of 323.83 g/mol. Its IUPAC name is 2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine.

Molecular Properties

Compound Name2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine
PubChem CID23188709
Molecular FormulaC19H18ClN3
Molecular Weight323.83 g/mol
Exact Mass323.12
IUPAC Name2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2cccc(Cc3ccccc3)n2)n1
InChIInChI=1S/C19H18ClN3/c1-2-7-15-13-18(20)23-19(22-15)17-11-6-10-16(21-17)12-14-8-4-3-5-9-14/h3-6,8-11,13H,2,7,12H2,1H3
InChIKeyRLDMOXMDQSFCGO-UHFFFAOYSA-N
XLogP4.74
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine?
The IUPAC name of 2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine (CID 23188709) is 2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine.
What is the SMILES notation for 2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine?
The canonical SMILES for 2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine is CCCc1cc(Cl)nc(-c2cccc(Cc3ccccc3)n2)n1.
What is the InChIKey of 2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine?
The InChIKey is RLDMOXMDQSFCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3/c1-2-7-15-13-18(20)23-19(22-15)17-11-6-10-16(21-17)12-14-8-4-3-5-9-14/h3-6,8-11,13H,2,7,12H2,1H3.
What are the key properties of 2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine?
2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine has a molecular weight of 323.83 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-2-pyridinyl)-4-chloro-6-propylpyrimidine is sourced from PubChem (CID 23188709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).